[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate CAS Name: 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Traditional Name: 4-(piazthiol-4-ylsulfonylamino)butyric acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCCNS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCCNS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C20H22N4O6S2/c1-11-18(13(3)25)12(2)22-19(11)15(26)10-30-17(27)8-5-9-21-32(28,29)16-7-4-6-14-20(16)24-31-23-14/h4,6-7,21-22H,5,8-10H2,1-3H3